4-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-piperidin-4-yl-methyl]-6-methyl-pyrimidine

Systemtic Name: 4-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-piperidin-4-yl-methyl]-6-methyl-pyrimidine Openeye Name: 4-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-piperidyl)methyl]-6-methyl-pyrimidine CAS Name: 4-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-(4-piperidinyl)methyl]-6-methylpyrimidine IUPAC Name: 4-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-piperidin-4-ylmethyl]-6-methylpyrimidine Traditional Name: 4-[(4-brosylpiperazino)-(4-piperidyl)methyl]-6-methyl-pyrimidine Formula: C21H28BrN5O2S MolecularWeight: 494.44832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)C(C2CCNCC2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=NC=N1)C(C2CCNCC2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H28BrN5O2S/c1-16-14-20(25-15-24-16)21(17-6-8-23-9-7-17)26-10-12-27(13-11-26)30(28,29)19-4-2-18(22)3-5-19/h2-5,14-15,17,21,23H,6-13H2,1H3